[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene

C7H6Cl2FNO2S2 — CID 175187666

IUPAC[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene
SMILESO=S(O)N(SC(F)(Cl)Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2FNO2S2/c8-7(9,10)14-11(15(12)13)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKeyVYLSGZAHQXTJSM-UHFFFAOYSA-N
MW290.17 g/mol
LogP3.34
Rot. Bonds4

About [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene

[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene (PubChem CID 175187666) has the molecular formula C7H6Cl2FNO2S2 and a molecular weight of 290.17 g/mol. Its IUPAC name is [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene.

Molecular Properties

Compound Name[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene
PubChem CID175187666
Molecular FormulaC7H6Cl2FNO2S2
Molecular Weight290.17 g/mol
Exact Mass288.92
IUPAC Name[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene
SMILESO=S(O)N(SC(F)(Cl)Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2FNO2S2/c8-7(9,10)14-11(15(12)13)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKeyVYLSGZAHQXTJSM-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene?
The IUPAC name of [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene (CID 175187666) is [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene.
What is the SMILES notation for [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene?
The canonical SMILES for [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene is O=S(O)N(SC(F)(Cl)Cl)c1ccccc1.
What is the InChIKey of [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene?
The InChIKey is VYLSGZAHQXTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2FNO2S2/c8-7(9,10)14-11(15(12)13)6-4-2-1-3-5-6/h1-5H,(H,12,13).
What are the key properties of [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene?
[[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene has a molecular weight of 290.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[dichloro(fluoro)methyl]sulfanyl-sulfinoamino]benzene is sourced from PubChem (CID 175187666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).